ethyl 3-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]propanoate

Systemtic Name: ethyl 3-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]propanoate Openeye Name: ethyl 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]propanoate CAS Name: 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-5-phenyl-3-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-5-phenylpyrazol-3-yl]propanoate Traditional Name: 3-[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]propionic acid ethyl ester Formula: C30H31N7O2 MolecularWeight: 521.61284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NN(C(=C1)C2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCC1=NN(C(=C1)C2=CC=CC=C2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C30H31N7O2/c1-3-39-29(38)16-13-23-17-27(20-7-5-4-6-8-20)37(35-23)24-14-15-26-25(18-24)34-28(36(26)2)19-33-22-11-9-21(10-12-22)30(31)32/h4-12,14-15,17-18,33H,3,13,16,19H2,1-2H3,(H3,31,32)